General Information of the Compound
| Compound ID |
CP0919223
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| Compound Name |
4-(2-Acetylamino-ethyl)-6-methoxy-1-methyl-quinolinium iodide
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| Structure |
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| Formula |
C15H19IN2O2
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| Molecular Weight |
386.233
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| Canonical SMILES |
COc1ccc2c(c1)c(CCNC(C)=O)cc[n+]2C.[I-]
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| InChI |
InChI=1S/C15H18N2O2.HI/c1-11(18)16-8-6-12-7-9-17(2)15-5-4-13(19-3)10-14(12)15;/h4-5,7,9-10H,6,8H2,1-3H3;1H
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| InChIKey |
XEVGUAFZWVKVHK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B